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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007008

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.73
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.72
DHCCAFFEIC ACIDA1KOU0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.73
CAQCATECHOLB2BUY0.9
CAQCATECHOLA1KND0.9
CAQCATECHOLB2BUQ0.9
CAQCATECHOLA,B1DLT0.9
CAQCATECHOLA1XEP0.9
CAQCATECHOLA2PUM0.9
MCT4-METHYLCATECHOLA1L4G0.79
MCT4-METHYLCATECHOLA2EHZ0.79
MCT4-METHYLCATECHOLA,B1DMH0.79
2CH2-CHLOROPHENOLA1WBO0.72
CRSM-CRESOLA,B,C,D1EV30.73
CRSM-CRESOLA,B,C,D,E,F2OMG0.73
CRSM-CRESOLA,B1UZ90.73
CRSM-CRESOLA,B,C,D1ZEH0.73
CRSM-CRESOLA,B,C,D,E,F1ZEI0.73
CRSM-CRESOLA,C,D,E7INS0.73
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.73
IOL4-IODOPHENOLA,B1EWA0.8
BPYBIPHENYL-2,3-DIOLA1KMY0.73
BPYBIPHENYL-2,3-DIOLB1KW80.73
BPYBIPHENYL-2,3-DIOLA2EI30.73
BPYBIPHENYL-2,3-DIOLA1EIR0.73
BPYBIPHENYL-2,3-DIOLB1KW60.73
BPYBIPHENYL-2,3-DIOLB1KWC0.73
BPYBIPHENYL-2,3-DIOLB1KW90.73
FPN4-FLUOROPHENOLA,B1XVD0.8
HTS2-MERCAPTOPHENOLA2OSM0.75
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.7
EYK2-tert-butylbenzene-1,4-diolB3EYK0.7
2612-ethoxyphenolX2RB10.74
MBD3-METHYLCATECHOLA1KNF0.78
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.87
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.72
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.73
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.78
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.98
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.98
BML4-BROMOPHENOLA,B,E3DHH0.74
BML4-BROMOPHENOLA,B1XU30.74
BML4-BROMOPHENOLA,B1T0S0.74
ETY4-ethylphenolA,B,C,D2RA60.72
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.8
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.76
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.84
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.71
2BR2-BROMOPHENOLA,B,C,D2A9W0.74
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.82
3CH3-CHLOROPHENOLA1LI30.74
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.96
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.96
FFP2,6-DIFLUOROPHENOLA2INX0.78
STLRESVERATROLA,B3CKL0.77
STLRESVERATROLA,B,C,D1U0W0.77
STLRESVERATROLA1CGZ0.77
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.77
STLRESVERATROLA1Z1F0.77
STLRESVERATROLA1DVS0.77
STLRESVERATROLA,B1SG00.77
IPHPHENOLA,B2OLD0.83
IPHPHENOLA,B,C,D2PZV0.83
IPHPHENOLA1LI20.83
IPHPHENOLA2J9N0.83
IPHPHENOLA,B,C,D2OMB0.83
IPHPHENOLA1JHX0.83
IPHPHENOLA,B,C,D2VE70.83
IPHPHENOLB,D,E,G,H,J,L1AI00.83
IPHPHENOLA,B,C,D1FOH0.83
IPHPHENOLA1V030.83
IPHPHENOLA,C,E,G,I,K5AIY0.83
IPHPHENOLB,D,F,H,J,L1AIY0.83
IPHPHENOLA,B1XU50.83
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.83
IPHPHENOLA,C,E,G,I,K4AIY0.83
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.83
IPHPHENOLA2AS30.83
IPHPHENOLA,B,C,D1ZEG0.83
IPHPHENOLA,B,C,D1PN00.83
IPHPHENOLA,B,C,D1XW70.83
IPHPHENOLA,C,E,G,I,K,M1QIY0.83
IPHPHENOLA,B,C,D1Q4V0.83
IPHPHENOLB1AI70.83
IPHPHENOLA1FJW0.83
IPHPHENOLB,C,D1RWE0.83
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.83
IPHPHENOLB,C,D3GKY0.83
IPHPHENOLA1JHY0.83
IPHPHENOLA,C,E,G,I,K3AIY0.83
IPHPHENOLA,B2OMN0.83
IPHPHENOLA,C,E,G,I,K2AIY0.83
IPHPHENOLA,B,D1MPJ0.83
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.83
IPHPHENOLB,C,D1LPH0.83
PCRP-CRESOLA1JHV0.74
PCRP-CRESOLA1JHU0.74
PCRP-CRESOLA,B,C,D1DIQ0.74
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.91
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.91
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.91
RCORESORCINOLA,B,C,D,E,F2OMH0.91
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.91
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.91
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.91
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.91
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.82
2LP2-ALLYLPHENOLA1OV50.72
FP22-fluorophenolA3CPO0.8
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.76